Geometry & MOs

Info

ID:	198032
PubChem CID:	79033747
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	297.145282
ΔH_f, kcal/mol:	23.63
Dipole, Da:	4.63
IP(EA), eV:	-8.45(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,2-dimethylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CN1C2CCCC1CC(C2)NC3=NC(=CN=C3)N

DOS

IR

Vibrations